Ready-to-run Docker image bundling five machine-learning interatomic potential (MLIP) stacks in isolated conda environments. Built for CPU-only machines (no CUDA required). All environments use Python 3.11. Inside the container, switch environments with micromamba run -n... or micromamba activate. dockerbuild/ contains the Dockerfile and per-env requirement files (pip freezes normalized to CPU wheels). envsnapshots/ contains the original conda env export YAMLs and raw pip freezes captured from the source machine (Ubuntu 24.04, 2026-08-21). - Model checkpoints are NOT included; download them via each package's own tooling (e.g. sevenn, fairchem, GRACE model registry). - CUDA wheels were…
Independent publisher
Seokhyun Choung
Seanmonami
Models in Library0
Datasets in Library1
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